Search Results - "Visotin, M. A"
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Stability and Electronic Properties of PtPd Nanoparticles via MD and DFT Calculations
Published in Journal of physical chemistry. C (09-08-2018)“…The structural as well as electronic properties of PtPd nanoparticles (NPs) were investigated by using molecular dynamics simulations and density functional…”
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Prediction and theoretical investigation of new 2D and 3D periodical structures, having graphene-like bandstructures
Published in Physica Status Solidi. B: Basic Solid State Physics (01-11-2015)“…A new family of planar nanostructures having graphene‐like electronic band structure is theoretically investigated by density functional theory (DFT). Based on…”
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Insights into fullerene polymerization under the high pressure: The role of endohedral Sc dimer
Published in Carbon (New York) (15-04-2022)“…In this work, through the technology of producing endohedral metallofullerene in macroscopic quantities, the process of pressure polymerization of Sc2C2@C82…”
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Trimetallic magnetite-Ti-Au nanoparticle formation: A theoretical approach
Published in Materials chemistry and physics (01-10-2021)“…Geometric, electronic and magnetic structure of planar slabs consisting of magnetite Fe3O4, titanium and gold layers are investigated by DFT-GGA calculations…”
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Investigation of intrinsic defect magnetic properties in wurtzite ZnO materials
Published in Journal of magnetism and magnetic materials (15-10-2017)“…Theoretical and experimental investigations of the ferromagnetism induced by intrinsic defects inside wurtzite zinc oxide structures are performed using…”
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New method for calculations of nanostructure kinetic stability at high temperature
Published in Journal of magnetism and magnetic materials (15-10-2017)“…A new universal method is developed for determination of nanostructure kinetic stability (KS) at high temperatures, when nanostructures can be destroyed by…”
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DFT investigation of electronic structures and magnetic properties of halides family MeHal3 (Me=Ti, Mo,Zr,Nb, Ru, Hal=Cl,Br,I) one dimensional structures
Published in Journal of magnetism and magnetic materials (15-10-2017)“…Using DFT GGA calculations, electronic structure and magnetic properties of wide family of transition metal trihalides (TMHal3) (Zr, Ti and Nb iodides, Mo, Ru,…”
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Feature of the Endohedral Metallofullerene Y@C 82 and Gd@C 82 Polymerization under High Pressure
Published in Journal of physical chemistry. C (13-10-2022)Get full text
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Iron silicides formation on Si (100) and (111) surfaces through theoretical modeling of sputtering and annealing
Published in Applied surface science (15-10-2020)“…[Display omitted] •Formation of iron silicides with BCC structure is more preferable on Si(111) surface.•The BCC Fe3Si structures are likely to form with the…”
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Si/Fe flux ratio influence on growth and physical properties of polycrystalline β-FeSi2 thin films on Si(100) surface
Published in Journal of magnetism and magnetic materials (15-10-2017)“…This work investigates the Si/Fe flux ratio (2 and 0.34) influence on the growth of β-FeSi2 polycrystalline thin films on Si(100) substrate at 630°C. Lattice…”
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Feature of the Endohedral Metallofullerene Y@C82 and Gd@C82 Polymerization under High Pressure
Published in Journal of physical chemistry. C (13-10-2022)“…In the present work, the polymerization of endohedral metallofullerenes (EMFs) with gadolinium (Gd@C82) and yttrium atoms (Y@C82) at high pressures achieved…”
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Si/Fe flux ratio influence on growth and physical properties of polycrystalline ß-FeSi2 thin films on Si(100) surface
Published in Journal of magnetism and magnetic materials (15-10-2017)“…This work investigates the Si/Fe flux ratio (2 and 0.34) influence on the growth of β-FeSi2 polycrystalline thin films on Si(100) substrate at 630 °C. Lattice…”
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